SCHEMBL21492525

SCHEMBL21492525

O=C(O)N[C@H]1CC[C@H](Oc2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.43
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
FFAR4 Q5NUL3 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21492528 1.00 EPHX2 (0.43) EPHX2POLBFAAHFFAR4PTGS1
SCHEMBL21503612 0.82 BTK (0.44) EPHX2
SCHEMBL28529932 0.82 BTK (0.44) EPHX2
SCHEMBL28529931 0.82 BTK (0.44) EPHX2
SCHEMBL26933284 0.82 FFAR4 (0.43) EPHX2POLBFFAR4PTGS1PTGS2
SCHEMBL26933277 0.82 FFAR4 (0.43) EPHX2POLBFFAR4PTGS1PTGS2
SCHEMBL26933326 0.79 FFAR4 (0.40) EPHX2FFAR4PTGS1PTGS2HRH3
SCHEMBL26933318 0.79 FFAR4 (0.40) EPHX2FFAR4PTGS1PTGS2HRH3
SCHEMBL26933710 0.76 FFAR4 (0.42) EPHX2FFAR4PTGS1PTGS2HRH3
SCHEMBL26933714 0.76 FFAR4 (0.42) EPHX2FFAR4PTGS1PTGS2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EPHX2 2853/4885POLB 300/4885FAAH 4576/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EPHX2 2853/4885POLB 300/4885FAAH 4576/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EPHX2 2853/4885POLB 300/4885FAAH 4576/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EPHX2 2853/4885POLB 300/4885FAAH 4576/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.